3-(1-methylpyridin-1-ium-4-yl)cyclohepta[b]furan-2-one iodide

Systemtic Name: 3-(1-methylpyridin-1-ium-4-yl)cyclohepta[b]furan-2-one iodide Openeye Name: 3-(1-methylpyridin-1-ium-4-yl)cyclohepta[b]furan-2-one iodide CAS Name: 3-(1-methyl-4-pyridin-1-iumyl)-2-cyclohepta[b]furanone iodide IUPAC Name: 3-(1-methylpyridin-1-ium-4-yl)cyclohepta[b]furan-2-one iodide Traditional Name: 3-(1-methylpyridin-1-ium-4-yl)cyclohepta[b]furan-2-one iodide Formula: C15H12INO2 MolecularWeight: 365.16575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=C3C=CC=CC=C3OC2=O.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=C3C=CC=CC=C3OC2=O.[I-]

InChI

InChI=1S/C15H12NO2.HI/c1-16-9-7-11(8-10-16)14-12-5-3-2-4-6-13(12)18-15(14)17;/h2-10H,1H3;1H/q+1;/p-1